General Information of the Compound
| Compound ID |
CP0216103
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| Compound Name |
(R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)-N-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C22H21ClF3N5O
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| Molecular Weight |
463.891
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| Canonical SMILES |
Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)n1Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H21ClF3N5O/c1-14-28-29-20(31(14)13-15-4-8-17(23)9-5-15)19-3-2-12-30(19)21(32)27-18-10-6-16(7-11-18)22(24,25)26/h4-11,19H,2-3,12-13H2,1H3,(H,27,32)/t19-/m1/s1
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| InChIKey |
WPOWUOQNLIGLKJ-LJQANCHMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound